5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid

C13H11ClN2O3S2 — CID 63153997

IUPAC5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(CSCc1ccc(Cl)s1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H11ClN2O3S2/c14-11-2-1-10(21-11)6-20-7-12(17)16-9-3-8(13(18)19)4-15-5-9/h1-5H,6-7H2,(H,16,17)(H,18,19)
InChIKeyFEOARYGJVKSTRM-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.37
Rot. Bonds6

About 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid

5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 63153997) has the molecular formula C13H11ClN2O3S2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid
PubChem CID63153997
Molecular FormulaC13H11ClN2O3S2
Molecular Weight342.83 g/mol
Exact Mass341.99
IUPAC Name5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(CSCc1ccc(Cl)s1)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H11ClN2O3S2/c14-11-2-1-10(21-11)6-20-7-12(17)16-9-3-8(13(18)19)4-15-5-9/h1-5H,6-7H2,(H,16,17)(H,18,19)
InChIKeyFEOARYGJVKSTRM-UHFFFAOYSA-N
XLogP3.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyrazol-1-yl]acetic acid
CID 61017351
N-(5-chloro-2-pyridinyl)-2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetamide
CID 34136142
3-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-2-carboxylic acid
CID 104739627
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoic acid
CID 43171672
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38206399
5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870321
5-[(2-pyridin-4-ylsulfanylacetyl)amino]pyridine-3-carboxylic acid
CID 63153996
(2R)-4-amino-2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-4-oxobutanoic acid
CID 107821452
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-2-ethylbutanoic acid
CID 79806357
5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63154381
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791657
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-methoxyacetamide
CID 60701138

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid (CID 63153997) is 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid is O=C(CSCc1ccc(Cl)s1)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is FEOARYGJVKSTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S2/c14-11-2-1-10(21-11)6-20-7-12(17)16-9-3-8(13(18)19)4-15-5-9/h1-5H,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid?
5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 342.83 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63153997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).